N,N-diethyl-2-hydrazinylpyrimidin-4-amine

• ChemBase ID: 239117
• Molecular Formular: C8H15N5
• Molecular Mass: 181.2382
• Monoisotopic Mass: 181.13274551
• SMILES: n1c(N(CC)CC)ccnc1NN
• Canonical SMILES: CCN(c1ccnc(n1)NN)CC
• InChI: InChI=1S/C8H15N5/c1-3-13(4-2)7-5-6-10-8(11-7)12-9/h5-6H,3-4,9H2,1-2H3,(H,10,11,12)
• InChIKey: LQLXMGNCQUCFKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-hydrazinylpyrimidin-4-amine
• IUPAC Traditional name: N,N-diethyl-2-hydrazinylpyrimidin-4-amine
• Synonyms: N,N-diethyl-2-hydrazinylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD15202097
• PubChem SID: 164295027
• PubChem CID: 71756334

CALCULATED PROPERTIES

• Acid pKa: 15.672397
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.068356514
• LogD (pH = 7.4): 0.3537404
• Log P: 1.5362813
• Molar Refractivity: 56.6143 cm^3
• Polarizability: 19.607008 Å^3
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 2.087

Product Information

• Purity: 95%